SCHEMBL10480283

SCHEMBL10480283

CN1CCc2c(Cl)cc(Cl)c3oc(C=O)c(c23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.44
ADRA2B P18089 4/20 0.44
ADRA2C P18825 4/20 0.44
ADRA1D P25100 4/20 0.44
ADRA1A P35348 4/20 0.44
ADRA1B P35368 4/20 0.44
HTR6 P50406 1/20 0.39
ERN1 O75460 1/20 0.39
ALDH1A1 P00352 2/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10465258 0.87 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379595 0.81 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8927557 0.80 ADRA2A (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9382732 0.78 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10467044 0.76 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9535152 0.76 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9377847 0.72 KDM4E (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9383454 0.72 KDM4E (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9377714 0.71 ADRA1D (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380696 0.71 ALDH1A1 (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1989012050-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
EP-0344980-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed